N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide

C30H32ClF2N3O — CID 10196214

IUPACN-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
SMILESO=C(CNC1(c2ccc(-c3ccccc3F)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C30H32ClF2N3O/c31-26-19-23(13-14-28(26)33)35-29(37)20-34-30(15-17-36(18-16-30)24-5-1-2-6-24)22-11-9-21(10-12-22)25-7-3-4-8-27(25)32/h3-4,7-14,19,24,34H,1-2,5-6,15-18,20H2,(H,35,37)
InChIKeyLONQQIRBANTCGH-UHFFFAOYSA-N
MW524.06 g/mol
LogP6.75
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide (PubChem CID 10196214) has the molecular formula C30H32ClF2N3O and a molecular weight of 524.06 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
PubChem CID10196214
Molecular FormulaC30H32ClF2N3O
Molecular Weight524.06 g/mol
Exact Mass523.22
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide
SMILESO=C(CNC1(c2ccc(-c3ccccc3F)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C30H32ClF2N3O/c31-26-19-23(13-14-28(26)33)35-29(37)20-34-30(15-17-36(18-16-30)24-5-1-2-6-24)22-11-9-21(10-12-22)25-7-3-4-8-27(25)32/h3-4,7-14,19,24,34H,1-2,5-6,15-18,20H2,(H,35,37)
InChIKeyLONQQIRBANTCGH-UHFFFAOYSA-N
XLogP6.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.06
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide (CID 10196214) is N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide is O=C(CNC1(c2ccc(-c3ccccc3F)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide?
The InChIKey is LONQQIRBANTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClF2N3O/c31-26-19-23(13-14-28(26)33)35-29(37)20-34-30(15-17-36(18-16-30)24-5-1-2-6-24)22-11-9-21(10-12-22)25-7-3-4-8-27(25)32/h3-4,7-14,19,24,34H,1-2,5-6,15-18,20H2,(H,35,37).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide has a molecular weight of 524.06 g/mol, XLogP of 6.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(2-fluorophenyl)phenyl]piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 10196214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).